2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide

C18H20FN3O3S — CID 8749460

IUPAC2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C18H20FN3O3S/c19-16-8-4-5-9-17(16)26(24,25)22-12-10-21(11-13-22)14-18(23)20-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyXXOKFYFYSRKDPH-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.77
Rot. Bonds5

About 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide (PubChem CID 8749460) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
PubChem CID8749460
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1
InChIInChI=1S/C18H20FN3O3S/c19-16-8-4-5-9-17(16)26(24,25)22-12-10-21(11-13-22)14-18(23)20-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKeyXXOKFYFYSRKDPH-UHFFFAOYSA-N
XLogP1.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8749430
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 34700506
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
methyl 2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 55366799
4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 5121585
2-[4-[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 31151873
N-(2,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3652459
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide (CID 8749460) is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide?
The InChIKey is XXOKFYFYSRKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-16-8-4-5-9-17(16)26(24,25)22-12-10-21(11-13-22)14-18(23)20-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide?
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide has a molecular weight of 377.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 8749460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).